(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol

C12H24O3Si — CID 146166567

IUPAC(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol
SMILESC#CC[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-8-10(13)11(14)9-15-16(5,6)12(2,3)4/h1,10-11,13-14H,8-9H2,2-6H3/t10-,11+/m0/s1
InChIKeySTSMMHMLLLDIPI-WDEREUQCSA-N
MW244.41 g/mol
LogP1.75
Rot. Bonds5

About (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol

(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol (PubChem CID 146166567) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol
PubChem CID146166567
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol
SMILESC#CC[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-8-10(13)11(14)9-15-16(5,6)12(2,3)4/h1,10-11,13-14H,8-9H2,2-6H3/t10-,11+/m0/s1
InChIKeySTSMMHMLLLDIPI-WDEREUQCSA-N
XLogP1.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Tert-butyldimethylsilyl)oxy]but-3-yn-2-ol
CID 15261877
(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol
CID 15689854
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol
CID 58012768
1-[Tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol
CID 87178346
5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 87256832
1-Pentyn-3-ol, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10242363
(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 10682541
(3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol
CID 11194997
(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
CID 11360351
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol
CID 11499711
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11521515
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11579557

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol?
The IUPAC name of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol (CID 146166567) is (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol.
What is the SMILES notation for (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol?
The canonical SMILES for (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol is C#CC[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol?
The InChIKey is STSMMHMLLLDIPI-WDEREUQCSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-7-8-10(13)11(14)9-15-16(5,6)12(2,3)4/h1,10-11,13-14H,8-9H2,2-6H3/t10-,11+/m0/s1.
What are the key properties of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol?
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol has a molecular weight of 244.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol is sourced from PubChem (CID 146166567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).